ethyl 4-[[2-(furan-2-ylcarbonylamino)-4,5-dimethyl-thiophen-3-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[2-(furan-2-ylcarbonylamino)-4,5-dimethyl-thiophen-3-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[2-(furan-2-carbonylamino)-4,5-dimethyl-3-thienyl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[2-[[2-furanyl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(furan-2-carbonylamino)-4,5-dimethylthiophen-3-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[2-(2-furoylamino)-4,5-dimethyl-3-thienyl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H26N3O4S+ MolecularWeight: 392.49244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(SC(=C2C)C)NC(=O)C3=CC=CO3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(SC(=C2C)C)NC(=O)C3=CC=CO3

InChI

InChI=1S/C19H25N3O4S/c1-4-25-19(24)22-9-7-21(8-10-22)12-15-13(2)14(3)27-18(15)20-17(23)16-6-5-11-26-16/h5-6,11H,4,7-10,12H2,1-3H3,(H,20,23)/p+1